Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	20030
Common Name:	PA(18:0/18:0)
Systematic Name:	1,2-dioctadecanoyl-sn-glycero-3-phosphate
RefMet Name:	PA 18:0/18:0
Synonyms:	Distearoyl phosphatidic acid; Octadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-; beta,gamma-Distearoyl-L-alpha-phosphatidic acid; 1,2-Distearoyl-L-phosphatidic acid [PubChem Synonyms]
Exact Mass:	704.5356 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C39H77O8P
InChIKey:	YFWHNAWEOZTIPI-DIPNUNPCSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphates [GP10]
LIPID MAPS subclass:	Diacylglycerophosphates [GP1001]
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	447938
LIPID MAPS ID:	LMGP10010028
CHEBI ID:	83774

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y